4-(4-hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol

C12H22O3 — CID 87498094

IUPAC4-(4-hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol
SMILESC=C(CC(C)(C)O)OC(=C)CC(C)(C)O
InChIInChI=1S/C12H22O3/c1-9(7-11(3,4)13)15-10(2)8-12(5,6)14/h13-14H,1-2,7-8H2,3-6H3
InChIKeySQNKZBVNHZVOKR-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.35
Rot. Bonds6

About 4-(4-hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol

4-(4-hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol (PubChem CID 87498094) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 4-(4-hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol.

Molecular Properties

Compound Name4-(4-hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol
PubChem CID87498094
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name4-(4-hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol
SMILESC=C(CC(C)(C)O)OC(=C)CC(C)(C)O
InChIInChI=1S/C12H22O3/c1-9(7-11(3,4)13)15-10(2)8-12(5,6)14/h13-14H,1-2,7-8H2,3-6H3
InChIKeySQNKZBVNHZVOKR-UHFFFAOYSA-N
XLogP2.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol?
The IUPAC name of 4-(4-hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol (CID 87498094) is 4-(4-hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol.
What is the SMILES notation for 4-(4-hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol?
The canonical SMILES for 4-(4-hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol is C=C(CC(C)(C)O)OC(=C)CC(C)(C)O.
What is the InChIKey of 4-(4-hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol?
The InChIKey is SQNKZBVNHZVOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-9(7-11(3,4)13)15-10(2)8-12(5,6)14/h13-14H,1-2,7-8H2,3-6H3.
What are the key properties of 4-(4-hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol?
4-(4-hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol has a molecular weight of 214.30 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol is sourced from PubChem (CID 87498094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).